methyl 2-ethyl-4-(1-hydroxypropan-2-ylamino)but-2-enoate

C10H19NO3 — CID 103238289

IUPACmethyl 2-ethyl-4-(1-hydroxypropan-2-ylamino)but-2-enoate
SMILESCCC(=CCNC(C)CO)C(=O)OC
InChIInChI=1S/C10H19NO3/c1-4-9(10(13)14-3)5-6-11-8(2)7-12/h5,8,11-12H,4,6-7H2,1-3H3
InChIKeyVZHXNQKUFJVEDJ-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.47
Rot. Bonds6

About methyl 2-ethyl-4-(1-hydroxypropan-2-ylamino)but-2-enoate

methyl 2-ethyl-4-(1-hydroxypropan-2-ylamino)but-2-enoate (PubChem CID 103238289) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl 2-ethyl-4-(1-hydroxypropan-2-ylamino)but-2-enoate.

Molecular Properties

Compound Namemethyl 2-ethyl-4-(1-hydroxypropan-2-ylamino)but-2-enoate
PubChem CID103238289
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethyl 2-ethyl-4-(1-hydroxypropan-2-ylamino)but-2-enoate
SMILESCCC(=CCNC(C)CO)C(=O)OC
InChIInChI=1S/C10H19NO3/c1-4-9(10(13)14-3)5-6-11-8(2)7-12/h5,8,11-12H,4,6-7H2,1-3H3
InChIKeyVZHXNQKUFJVEDJ-UHFFFAOYSA-N
XLogP0.47
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 4-(1,3-dihydroxypropan-2-ylamino)-2-ethylbut-2-enoate
CID 103237021
methyl 2-ethyl-4-(4-methylsulfanylbutan-2-ylamino)but-2-enoate
CID 103265850
methyl 2-ethyl-4-(4-methylsulfinylbutan-2-ylamino)but-2-enoate
CID 103267831
methyl (Z)-2-ethyl-4-(2-methylpentan-3-ylamino)but-2-enoate
CID 103244160
methyl 2-ethyl-4-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]but-2-enoate
CID 103245755
methyl (Z)-2-ethyl-4-(4-phenylbutan-2-ylamino)but-2-enoate
CID 103246045
methyl (Z)-2-ethyl-4-(1-thiophen-2-ylpropan-2-ylamino)but-2-enoate
CID 103251832
methyl (Z)-2-ethyl-4-(pent-1-yn-3-ylamino)but-2-enoate
CID 106231869
methyl (Z)-2-ethyl-4-(hex-1-yn-3-ylamino)but-2-enoate
CID 106231927
methyl (Z)-2-ethyl-4-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]but-2-enoate
CID 103263533
methyl 4-(tert-butylamino)-2-ethylbut-2-enoate
CID 103235173
methyl (Z)-2-ethyl-4-[[(1R)-1-(furan-2-yl)ethyl]amino]but-2-enoate
CID 103260102

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-4-(1-hydroxypropan-2-ylamino)but-2-enoate?
The IUPAC name of methyl 2-ethyl-4-(1-hydroxypropan-2-ylamino)but-2-enoate (CID 103238289) is methyl 2-ethyl-4-(1-hydroxypropan-2-ylamino)but-2-enoate.
What is the SMILES notation for methyl 2-ethyl-4-(1-hydroxypropan-2-ylamino)but-2-enoate?
The canonical SMILES for methyl 2-ethyl-4-(1-hydroxypropan-2-ylamino)but-2-enoate is CCC(=CCNC(C)CO)C(=O)OC.
What is the InChIKey of methyl 2-ethyl-4-(1-hydroxypropan-2-ylamino)but-2-enoate?
The InChIKey is VZHXNQKUFJVEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-4-9(10(13)14-3)5-6-11-8(2)7-12/h5,8,11-12H,4,6-7H2,1-3H3.
What are the key properties of methyl 2-ethyl-4-(1-hydroxypropan-2-ylamino)but-2-enoate?
methyl 2-ethyl-4-(1-hydroxypropan-2-ylamino)but-2-enoate has a molecular weight of 201.27 g/mol, XLogP of 0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-4-(1-hydroxypropan-2-ylamino)but-2-enoate is sourced from PubChem (CID 103238289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).